%chk=000196463.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000196463

0 1
P 2.305419 0.353862 1.925105
P 3.542671 -0.775688 -0.631879
P 1.220125 -0.401060 -2.632409
O -0.019742 0.732559 -0.947886
O 0.021278 3.314082 -2.395104
O -2.555256 2.837037 -0.126829
O 1.756828 1.873262 1.657498
O -4.190604 0.939664 -0.582595
O 3.382285 0.203145 0.681088
O 3.368484 0.642470 3.115547
O -4.117796 -2.351950 2.572753
O 1.348139 -0.744268 2.066150
O 2.006599 -0.619013 -1.191496
O 3.442697 -2.264646 0.001333
O 4.658692 -0.439051 -1.492883
O 1.544243 1.161799 -2.970780
O 2.300222 -1.082056 -3.651049
O -0.132372 -0.947643 -2.685441
N -2.120875 0.048230 -0.046829
N -4.136299 -0.721778 1.012033
C -0.425233 3.057505 -1.050763
C -1.794907 2.344564 -1.213672
C 0.488462 1.994447 -0.404599
C -1.459668 0.815000 -1.144422
C 0.418861 2.001836 1.126051
C -1.384280 -0.898106 0.701437
C -3.538707 0.137646 0.081054
C -1.977918 -1.699969 1.621345
C -3.427637 -1.688377 1.833621
C -1.168414 -2.643119 2.469967
C -1.367351 -2.389367 3.963039
H -0.512263 4.009411 -0.488700
H -2.287888 2.588014 -2.181988
H 1.543974 2.038058 -0.768153
H -1.647721 0.277206 -2.119414
H -0.271487 1.231276 1.527735
H 0.105210 2.988983 1.532578
H 0.739271 3.990260 -2.399502
H -3.536916 2.654061 -0.278554
H -0.296556 -0.935052 0.498087
H -5.162298 -0.668429 1.105432
H -1.451523 -3.688587 2.223010
H -0.086043 -2.539596 2.225884
H -1.075019 -1.369977 4.238195
H -0.760965 -3.078173 4.561379
H -2.416895 -2.531685 4.258643
H 4.156102 1.221828 2.887526
H 2.553092 -2.560559 0.366666
H 0.771870 1.837463 -2.994531
H 3.103409 -0.548420 -3.913678


%chk=000196463-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000196463

0 1
P 2.314245 1.665063 2.121543
P 2.402732 -0.882274 0.291016
P 1.591029 -0.822853 -2.744097
O -0.066707 1.418569 0.344621
O -0.018598 2.367472 -2.773296
O -2.272792 3.347804 -0.050805
O 1.968475 3.230496 1.529090
O -3.392529 1.710526 1.529295
O 2.822174 0.775203 0.709980
O 3.736313 2.069190 2.940631
O -3.905441 -2.707760 2.835425
O 1.353508 0.760481 3.016201
O 1.248852 -0.765260 -0.961658
O 1.551863 -1.459096 1.613184
O 3.674802 -1.683308 -0.234414
O 2.025007 0.778941 -3.046272
O 3.027135 -1.680723 -2.849211
O 0.283997 -1.376966 -3.434786
N -2.072384 0.086789 0.404323
N -3.570564 -0.514457 2.120516
C -0.481162 2.963927 -1.499493
C -1.817546 2.355706 -0.991683
C 0.538156 2.555744 -0.403823
C -1.279960 1.007662 -0.415978
C 0.829704 3.628778 0.641155
C -1.727839 -1.287281 0.297083
C -3.018386 0.504767 1.359935
C -2.279994 -2.281285 1.062001
C -3.292352 -1.919947 2.065326
C -1.855531 -3.729461 0.947326
C -0.900685 -4.149794 2.097638
H -0.596726 4.055283 -1.610034
H -2.547703 2.163563 -1.806186
H 1.477616 2.207740 -0.873310
H -0.949304 0.411361 -1.289687
H -0.062445 3.814776 1.259204
H 1.200212 4.563611 0.189505
H -0.598809 2.631202 -3.526923
H -2.818338 2.871151 0.672256
H -0.951805 -1.499971 -0.442154
H -4.271492 -0.216978 2.808149
H -2.758140 -4.367722 0.979655
H -1.362678 -3.894749 -0.028124
H 0.017970 -3.536906 2.089267
H -0.613530 -5.210489 1.984539
H -1.397449 -4.035118 3.076755
H 4.206942 2.875271 2.603284
H 1.298088 -0.733974 2.313908
H 1.242387 1.449963 -3.021543
H 3.524981 -1.807570 -1.959333


